| SpectraBase Spectrum ID |
AmrtDHsZcT4 |
| Name |
Glutaric acid, isobutyl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-5-7-8-9-11-16(6-2)22-18(20)13-10-12-17(19)21-14-15(3)4/h15-16H,5-7,10-14H2,1-4H3 |
| InChIKey |
IUZKNPXJMWWXAY-UHFFFAOYSA-N |
| SMILES |
C(C#CCC(OC(CCCC(OCC(C)C)=O)=O)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876651 |
